using System;

using Atomic.Structures;

namespace Atomic.Vasp
{
	public interface IVaspResult
	{
		/// <summary>
		/// Energy per unit cell.
		/// </summary>
		double Energy
		{
			get;
		}

		/// <summary>
		/// Magnetic moment per unit cell.
		/// </summary>
		double MagneticMoment
		{
			get;
		}

		double FermiEnergy
		{
			get;
		}

		/// <summary>
		/// External pressure in eV/Å^3. Multiply by 1602.176487 to get this value in kbar (as VASP reports).
		/// in kPa.
		/// </summary>
		double ExternalPressure
		{
			get;
		}

		/// <summary>
		/// Initial structure before relaxation.
		/// </summary>
		Structure InitialStructure
		{
			get;
		}

		/// <summary>
		/// Final structure after relaxation.
		/// </summary>
		VaspStructure FinalStructure
		{
			get;
		}

		/*/// <summary>
		/// Charge density (CHG file).
		/// </summary>
		public ChargeDensity ChargeDensity
		{
			get;
			private set;
		}

		/// <summary>
		/// Electronic density of states (DOSCAR file).
		/// </summary>
		public ElectronicStateDensity ElectronicStateDensity
		{
			get;
			private set;
		}

		public ElectronicStateDensityNEW ElectronicStateDensityNEW
		{
			get;
			private set;
		}*/
	}
}
